Concepedia

Ab initio molecular orbital calculations of effective exchange integrals between transition metal ions

Kizashi Yamaguchi, Tetsuya Tsunekawa, Yasuyuki Toyoda, Takayuki Fueno

Chemical Physics Letters · 1988 · 165 citations · 17 references

DOI

Concepts

References

17

Orbital interactions in metal dimer complexes

P. Jeffrey Hay, Jack C. Thibeault, Roald Hoffmann · Journal of the American Chemical Society · 1975 · 1.3K citations

, , +15

The electronic structures of biradicals in the unrestricted Hartree-Fock approximation

Kizashi Yamaguchi · Chemical Physics Letters · 1975 · 458 citations

, , +13

The <i>X</i>α valence bond theory of weak electronic coupling. Application to the low-lying states of Mo2Cl84−

Louis Noodleman, Joe G. Norman · The Journal of Chemical Physics · 1979 · 414 citations

, , +15

Ab initio direct calculation of the singlet-triplet separation in cupric acetate hydrate dimer

Philippe De Loth, P. Cassoux, J. P. Daudey et al. · Journal of the American Chemical Society · 1981 · 271 citations

, , +5

MOLECULAR ORBITAL (MO) THEORY FOR MAGNETICALLY INTERACTING ORGANIC COMPOUNDS. AB-INITIO MO CALCULATIONS OF THE EFFECTIVE EXCHANGE INTEGRALS FOR CYCLOPHANE-TYPE CARBENE DIMERS

Kizashi Yamaguchi, Hiroaki Fukui, Takayuki Fueno · Chemistry Letters · 1986 · 222 citations

, , +17